(2-Oxocyclododecyl) 4-methylbenzenesulfonate
Basic information
- CAS
3667-84-3- Standard SMILES
Cc1ccc(S(=O)(=O)OC2CCCCCCCCCCC2=O)cc1- InChIKey
WKROSNASDKHTEZ-UHFFFAOYSA-N- Molecular formula
- C19H28O4S
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.17083054
Names & identifiers
- Preferred name
- (2-Oxocyclododecyl) 4-methylbenzenesulfonate
- IUPAC
- (2-oxocyclododecyl) 4-methylbenzenesulfonate
Names & synonyms
3667-84-3(2-oxocyclododecyl) 4-methylbenzenesulfonateNSC2497772-oxocyclododecyl 4-methylbenzene-1-sulfonateDTXSID60312090NSC-249777DS-0106442-[[(4-METHYLPHENYL)SULFONYL]OXY]CYCLODODECANONECYCLODODECANONE,2-[[(4-METHYLPHENYL)SULFONYL]OXY]-
Database identifiers
- CAS
3667-84-3- PubChem CID
- 317518
- DTXSID
DTXSID60312090- Nikkaji
- J1.745.203G
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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